2-[[1-[2-(1H-indol-3-yl)ethyl]piperidin-4-yl]carbamoyl]benzoic acid

Modify Date: 2024-01-31 09:18:07

2-[[1-[2-(1H-indol-3-yl)ethyl]piperidin-4-yl]carbamoyl]benzoic acid Structure
2-[[1-[2-(1H-indol-3-yl)ethyl]piperidin-4-yl]carbamoyl]benzoic acid structure
Common Name 2-[[1-[2-(1H-indol-3-yl)ethyl]piperidin-4-yl]carbamoyl]benzoic acid
CAS Number 26844-30-4 Molecular Weight 391.46300
Density 1.31g/cm3 Boiling Point 662.9ºC at 760mmHg
Molecular Formula C23H25N3O3 Melting Point N/A
MSDS N/A Flash Point 354.7ºC

 Names

Name 2-[[1-[2-(1H-indol-3-yl)ethyl]piperidin-4-yl]carbamoyl]benzoic acid
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.31g/cm3
Boiling Point 662.9ºC at 760mmHg
Molecular Formula C23H25N3O3
Molecular Weight 391.46300
Flash Point 354.7ºC
Exact Mass 391.19000
PSA 88.92000
LogP 3.81570
Vapour Pressure 1.77E-18mmHg at 25°C
Index of Refraction 1.677

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
DH2972300
CHEMICAL NAME :
Benzoic acid, 2-(((4-(2-(1H-indol-3-yl)ethyl)-4-piperidinyl)amino)c arbonyl)-, hydrate
CAS REGISTRY NUMBER :
26844-30-4
LAST UPDATED :
199103
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C23-H25-N3-O3.H2-O
MOLECULAR WEIGHT :
409.53

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
>400 mg/kg
TOXIC EFFECTS :
Vascular - BP lowering not characterized in autonomic section
REFERENCE :
JMCMAR Journal of Medicinal Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC 20037) V.6- 1963- Volume(issue)/page/year: 14,1054,1971

 Synonyms

2-({1-[2-(1h-indol-3-yl)ethyl]piperidin-4-yl}carbamoyl)benzoic acid
2-(((4-(2-(1H-Indol-3-yl)ethyl)-4-piperidinyl)amino)carbonyl)benzoic acid hydrate
N-[1-(2-indol-3-yl-ethyl)-piperidin-4-yl]-phthalamic acid
3-<2-(4-(2-Carboxybenzamido)piperid-1-yl)-ethyl>indol
3-(2-(4-(2-Carboxybenzamido)piperid-1-yl)ethyl)indole hydrate
Benzoic acid,2-(((4-(2-(1H-indol-3-yl)ethyl)-4-piperidinyl)amino)carbonyl)-,hydrate